SCHEMBL6537538

SCHEMBL6537538

N#Cc1cnc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SLC16A3 O15427 1/20 0.38
CDK1 P06493 2/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6537980 0.90 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL6537790 0.89 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL6537515 0.88 LMNA (0.41) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL6537501 0.87 TAS1R3 (0.37) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL6538276 0.87 JAK2 (0.44) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6538341 0.86 MEN1 (0.40) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL6537383 0.85 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL6537599 0.84 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2JAK2JAK1
SCHEMBL6537873 0.84 JAK2 (0.42) JAK2JAK1TYK2MEN1KMT2A
SCHEMBL6538156 0.84 POLB (0.51) KMT2AHTTSMN1; SMN2POLBNPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed